ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | D360-2385 |
| Compound Name: | ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C23 H20 Cl N3 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(N)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0233 |
| logD: | -0.4833 |
| logSw: | -4.9196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.473 |
| InChI Key: | GMEGJAMRZFREAM-LJQANCHMSA-N |